2-Morpholin-4-ylethyl 3-nitrobenzoate
TL;DR: 2-Morpholin-4-ylethyl 3-nitrobenzoate (CAS 499189-88-7) is a chemical compound with molecular formula C13H16N2O5 and molecular weight 280.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-morpholin-4-ylethyl 3-nitrobenzoate
Also Known As: 2-morpholin-4-ylethyl 3-nitrobenzoate, 2-(4-morpholinyl)ethyl 3-nitrobenzoate, 2-morpholinoethyl 3-nitrobenzoate, BAS 00130543, 3-Nitro-benzoic acid 2-morpholin-4-yl-ethyl ester
| Molecular Formula | C13H16N2O5 |
|---|---|
| Molecular Weight | 280.11 g/mol |
| LogP | 1.0838 |
| Topological Polar Surface Area | 81.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 280.10593 |
| Heavy Atoms | 20 |
| Complexity | 485.4048 |
Chemical Identifiers
| CAS Number | 499189-88-7 |
|---|---|
| SMILES | C1COCCN1CCOC(=O)C2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
2-Morpholin-4-ylethyl 3-nitrobenzoate (CAS 499189-88-7), with molecular formula C13H16N2O5 and molecular weight 280.11 g/mol. IUPAC: 2-morpholin-4-ylethyl 3-nitrobenzoate.
Chemical Property Profile of 2-Morpholin-4-ylethyl 3-nitrobenzoate
Property Insights of 2-Morpholin-4-ylethyl 3-nitrobenzoate
The XLogP value of 1.0838 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Morpholin-4-ylethyl 3-nitrobenzoate. The TPSA of 81.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Morpholin-4-ylethyl 3-nitrobenzoate. Following Lipinski's Rule of Five, 2-Morpholin-4-ylethyl 3-nitrobenzoate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Morpholin-4-ylethyl 3-nitrobenzoate?
The CAS number of 2-Morpholin-4-ylethyl 3-nitrobenzoate is 499189-88-7.
What is the molecular formula of 2-Morpholin-4-ylethyl 3-nitrobenzoate?
The molecular formula of 2-Morpholin-4-ylethyl 3-nitrobenzoate is C13H16N2O5.
What is the molecular weight of 2-Morpholin-4-ylethyl 3-nitrobenzoate?
The molecular weight of 2-Morpholin-4-ylethyl 3-nitrobenzoate is 280.11 g/mol.
Where can I buy 2-Morpholin-4-ylethyl 3-nitrobenzoate?
You can request a quote for 2-Morpholin-4-ylethyl 3-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Morpholin-4-ylethyl 3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Morpholin-4-ylethyl 3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.